UCSF

ZINC22056228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 10.02 -45.09 2 6 1 71 401.508 6
Hi High (pH 8-9.5) 2.80 7.49 -14.94 1 6 0 70 400.5 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )